6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine

C15H17ClN2S — CID 79525165

IUPAC6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(NCC(C3CC3)C3CC3)sc2c1
InChIInChI=1S/C15H17ClN2S/c16-11-5-6-13-14(7-11)19-15(18-13)17-8-12(9-1-2-9)10-3-4-10/h5-7,9-10,12H,1-4,8H2,(H,17,18)
InChIKeyAZMZQLMWUDODKL-UHFFFAOYSA-N
MW292.83 g/mol
LogP4.80
Rot. Bonds5

About 6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine

6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine (PubChem CID 79525165) has the molecular formula C15H17ClN2S and a molecular weight of 292.83 g/mol. Its IUPAC name is 6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine
PubChem CID79525165
Molecular FormulaC15H17ClN2S
Molecular Weight292.83 g/mol
Exact Mass292.08
IUPAC Name6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(NCC(C3CC3)C3CC3)sc2c1
InChIInChI=1S/C15H17ClN2S/c16-11-5-6-13-14(7-11)19-15(18-13)17-8-12(9-1-2-9)10-3-4-10/h5-7,9-10,12H,1-4,8H2,(H,17,18)
InChIKeyAZMZQLMWUDODKL-UHFFFAOYSA-N
XLogP4.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 79528936
6-chloro-N-(cyclobutylmethyl)-1,3-benzothiazol-2-amine
CID 79528767
6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine
CID 114096567
6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine
CID 113479115
6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 21241580
6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 43969130
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 114111762
6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine
CID 103462911
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide
CID 108782575
6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 106900344

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine (CID 79525165) is 6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine is Clc1ccc2nc(NCC(C3CC3)C3CC3)sc2c1.
What is the InChIKey of 6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine?
The InChIKey is AZMZQLMWUDODKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c16-11-5-6-13-14(7-11)19-15(18-13)17-8-12(9-1-2-9)10-3-4-10/h5-7,9-10,12H,1-4,8H2,(H,17,18).
What are the key properties of 6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine?
6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine has a molecular weight of 292.83 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79525165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).